(E)-3-[9,9-dimethyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]xanthen-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[9,9-dimethyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]xanthen-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-9,9-dimethyl-xanthen-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-9,9-dimethyl-4-xanthenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-9,9-dimethylxanthen-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-9,9-dimethyl-xanthen-4-yl]acrylic acid Formula: C21H18O5 MolecularWeight: 350.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC(=C2OC3=C(C=CC=C31)C=CC(=O)O)C=CC(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC(=C2OC3=C(C=CC=C13)/C=C/C(=O)O)/C=C/C(=O)O)C

InChI

InChI=1S/C21H18O5/c1-21(2)15-7-3-5-13(9-11-17(22)23)19(15)26-20-14(10-12-18(24)25)6-4-8-16(20)21/h3-12H,1-2H3,(H,22,23)(H,24,25)/b11-9+,12-10+